2-methyl-3-(1-propan-2-yloxyethoxy)phenol

C12H18O3 — CID 69410619

IUPAC2-methyl-3-(1-propan-2-yloxyethoxy)phenol
SMILESCc1c(O)cccc1OC(C)OC(C)C
InChIInChI=1S/C12H18O3/c1-8(2)14-10(4)15-12-7-5-6-11(13)9(12)3/h5-8,10,13H,1-4H3
InChIKeyTZHUINPMQLVMAF-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.85
Rot. Bonds4

About 2-methyl-3-(1-propan-2-yloxyethoxy)phenol

2-methyl-3-(1-propan-2-yloxyethoxy)phenol (PubChem CID 69410619) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-methyl-3-(1-propan-2-yloxyethoxy)phenol.

Molecular Properties

Compound Name2-methyl-3-(1-propan-2-yloxyethoxy)phenol
PubChem CID69410619
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-methyl-3-(1-propan-2-yloxyethoxy)phenol
SMILESCc1c(O)cccc1OC(C)OC(C)C
InChIInChI=1S/C12H18O3/c1-8(2)14-10(4)15-12-7-5-6-11(13)9(12)3/h5-8,10,13H,1-4H3
InChIKeyTZHUINPMQLVMAF-UHFFFAOYSA-N
XLogP2.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-propan-2-yloxyethoxy)phenol?
The IUPAC name of 2-methyl-3-(1-propan-2-yloxyethoxy)phenol (CID 69410619) is 2-methyl-3-(1-propan-2-yloxyethoxy)phenol.
What is the SMILES notation for 2-methyl-3-(1-propan-2-yloxyethoxy)phenol?
The canonical SMILES for 2-methyl-3-(1-propan-2-yloxyethoxy)phenol is Cc1c(O)cccc1OC(C)OC(C)C.
What is the InChIKey of 2-methyl-3-(1-propan-2-yloxyethoxy)phenol?
The InChIKey is TZHUINPMQLVMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-8(2)14-10(4)15-12-7-5-6-11(13)9(12)3/h5-8,10,13H,1-4H3.
What are the key properties of 2-methyl-3-(1-propan-2-yloxyethoxy)phenol?
2-methyl-3-(1-propan-2-yloxyethoxy)phenol has a molecular weight of 210.27 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-propan-2-yloxyethoxy)phenol is sourced from PubChem (CID 69410619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).